HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 459101Generated: November 5, 2026
3-(4-methoxyphenyl)isoxazol-5(4H)-one
3-(4-Methoxyphenyl)-5(4H)-isoxazolone · 5(4H)-Isoxazolone, 3-(4-methoxyphenyl)-
https://huagongshe.com/en/chemical/459101
Identifiers & Physical Properties
| CAS No. | 31709-47-4 |
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| Molecular formula | C10H9NO3 |
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| Average molar mass | 191.18 g/mol |
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| Monoisotopic mass | 191.05824315 g/mol |
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| SMILES | COc1ccc(C2=NOC(=O)C2)cc1 |
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| InChIKey | QTBSYAAYOGYCLP-UHFFFAOYSA-N |
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| PubChem CID | 459101 |
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| DTXSID | DTXSID70332603 |
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Chemical & Physical Properties
| XLogP | 1.7 |
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| Topological polar surface area | 47.9 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 14 |
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| Formal charge | 0 |
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| Complexity | 254 |
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| GHS pictogram | GHS07 |
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| Signal word | Warning |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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Safety & Regulations
| Signal word | Warning |
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| GHS pictogram | GHS07 |
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| GHS hazard statements | H302-H315-H319-H335 |
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| GHS precautionary statements | P280-P305+P351+P338 |
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